4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid

C17H18O5S — CID 138032297

IUPAC4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)sc1-c1cccc(COC2CCOC2)c1
InChIInChI=1S/C17H18O5S/c1-20-14-8-15(17(18)19)23-16(14)12-4-2-3-11(7-12)9-22-13-5-6-21-10-13/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,18,19)
InChIKeyYLZWFCMUGFDVFD-UHFFFAOYSA-N
MW334.39 g/mol
LogP3.43
Rot. Bonds6

About 4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid

4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid (PubChem CID 138032297) has the molecular formula C17H18O5S and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid
PubChem CID138032297
Molecular FormulaC17H18O5S
Molecular Weight334.39 g/mol
Exact Mass334.09
IUPAC Name4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)sc1-c1cccc(COC2CCOC2)c1
InChIInChI=1S/C17H18O5S/c1-20-14-8-15(17(18)19)23-16(14)12-4-2-3-11(7-12)9-22-13-5-6-21-10-13/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,18,19)
InChIKeyYLZWFCMUGFDVFD-UHFFFAOYSA-N
XLogP3.43
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[3-(oxolan-3-yloxymethyl)phenyl]pyrazole-5-carboxylic acid
CID 167836268
4-[3-(oxolan-3-yloxymethyl)phenyl]-1H-pyrazole
CID 166240164
4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine
CID 155037577
3-[[(3S)-oxolan-3-yl]oxymethyl]benzaldehyde
CID 150049092
[3-(oxolan-3-yloxymethyl)phenyl]boronic acid
CID 63556694
[2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate
CID 175189919
6-methyl-7-[3-(oxolan-3-yloxymethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 167861849
3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 164631097
3-(oxolan-3-yloxymethyl)thiophene-2-carboxylic acid
CID 63641042
3-[2-[3-(ethoxymethyl)phenyl]ethoxy]oxolane
CID 146544463
1-[4-methoxy-3-(oxolan-3-yloxymethyl)phenyl]ethanol
CID 63557286
4-phenylmethoxyoxane
CID 66554133

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid (CID 138032297) is 4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid is COc1cc(C(=O)O)sc1-c1cccc(COC2CCOC2)c1.
What is the InChIKey of 4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid?
The InChIKey is YLZWFCMUGFDVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5S/c1-20-14-8-15(17(18)19)23-16(14)12-4-2-3-11(7-12)9-22-13-5-6-21-10-13/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,18,19).
What are the key properties of 4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid?
4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid has a molecular weight of 334.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 138032297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).